Detailed information for compound 1729301

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.466 | Formula: C19H21N5O4S
  • H donors: 1 H acceptors: 5 LogP: 2.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc(nc1C)CNc1nncc(n1)c1c(OC)cccc1OC
  • InChi: 1S/C19H21N5O4S/c1-5-28-18(25)17-11(2)22-15(29-17)10-20-19-23-12(9-21-24-19)16-13(26-3)7-6-8-14(16)27-4/h6-9H,5,10H2,1-4H3,(H,20,23,24)
  • InChiKey: DYXFSGUIWHTHNK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0016 0.0249 0.1055
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1157 0.5252
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0889 0.3768
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0326 0.1481
Schistosoma mansoni zinc finger protein 0.0016 0.0249 0.1055
Loa Loa (eye worm) hypothetical protein 0.0048 0.164 0.1877
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0353 0.0404
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0326 0.1382
Trypanosoma brucei ISWI complex protein 0.0016 0.0249 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.164 0.7444
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.164 0.6947
Echinococcus multilocularis zinc finger protein 0.002 0.0437 0.1985
Loa Loa (eye worm) hypothetical protein 0.0039 0.1264 0.1447
Brugia malayi Pre-SET motif family protein 0.0031 0.0889 0.1018
Brugia malayi Bromodomain containing protein 0.0077 0.2876 0.3293
Schistosoma mansoni hypothetical protein 0.0021 0.0484 0.2049
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0326 0.1481
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.8735 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.164 0.7444
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2203 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1157 0.5252
Loa Loa (eye worm) hypothetical protein 0.0072 0.2688 0.3077
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0889 0.4037
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0484 0.0554
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0841 0.3818
Loa Loa (eye worm) hypothetical protein 0.0042 0.1368 0.1567
Echinococcus granulosus zinc finger protein 0.002 0.0437 0.1985
Plasmodium vivax SET domain protein, putative 0.0031 0.0889 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2203 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0326 0.1382
Brugia malayi Pre-SET motif family protein 0.0213 0.8735 1
Brugia malayi PHD-finger family protein 0.0025 0.0672 0.0769
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0568 0.2405
Schistosoma mansoni zinc finger protein 0.002 0.0437 0.1852
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0889 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0568 0.2577
Brugia malayi Bromodomain containing protein 0.0039 0.1261 0.1444
Leishmania major hypothetical protein, conserved 0.0016 0.0249 0.5
Trypanosoma cruzi ISWI complex protein 0.0016 0.0249 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0889 0.3768
Loa Loa (eye worm) hypothetical protein 0.0044 0.1453 0.1663
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.164 0.6947
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0568 0.2577
Schistosoma mansoni bromodomain containing protein 0.0065 0.2361 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.0249 0.5
Onchocerca volvulus 0.0031 0.0889 0.0889

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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